USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot 166:sc= -0.914 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -2.59 K(o=-7,f=-7.6) USER MOD Set 1.3: A 62 CYS SG : rot 54:sc=-0.00202 USER MOD Set 1.4: A 65 CYS SG : rot -50:sc= -3.54! USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 SER OG : rot 180:sc= -0.88 USER MOD Set 3.1: A 22 CYS SG : rot -40:sc= 1.06 USER MOD Set 3.2: A 25 CYS SG : rot -58:sc= -2.38! USER MOD Set 3.3: A 42 CYS SG : rot 70:sc= 0.835 USER MOD Set 3.4: A 45 CYS SG : rot 125:sc= -0.366 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.477! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 11:sc= 0.237! USER MOD Single : A 15 MET CE :methyl 150:sc= -0.357 (180deg=-1.41!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0.295 (180deg=0.179) USER MOD Single : A 21 THR OG1 : rot 22:sc= 0.204 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0174 (180deg=-0.231) USER MOD Single : A 38 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.93) USER MOD Single : A 47 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 49 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.55) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.5 USER MOD Single : A 73 ASN : amide:sc= -0.0372 X(o=-0.037,f=0.16) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 26.997 -3.354 3.829 1.00 0.00 N ATOM 31 CA GLY A 4 25.753 -3.203 3.096 1.00 0.00 C ATOM 32 C GLY A 4 25.084 -4.532 2.810 1.00 0.00 C ATOM 33 O GLY A 4 25.701 -5.588 2.947 1.00 0.00 O ATOM 0 HA2 GLY A 4 25.072 -2.573 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.949 -2.689 2.155 1.00 0.00 H new ATOM 37 N SER A 5 23.816 -4.481 2.414 1.00 0.00 N ATOM 38 CA SER A 5 23.060 -5.691 2.113 1.00 0.00 C ATOM 39 C SER A 5 22.233 -5.514 0.843 1.00 0.00 C ATOM 40 O SER A 5 21.235 -4.793 0.835 1.00 0.00 O ATOM 41 CB SER A 5 22.145 -6.051 3.285 1.00 0.00 C ATOM 42 OG SER A 5 21.746 -7.409 3.223 1.00 0.00 O ATOM 0 H SER A 5 23.291 -3.615 2.294 1.00 0.00 H new ATOM 0 HA SER A 5 23.770 -6.502 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.663 -5.864 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.264 -5.409 3.273 1.00 0.00 H new ATOM 0 HG SER A 5 21.163 -7.614 3.984 1.00 0.00 H new ATOM 48 N SER A 6 22.656 -6.176 -0.228 1.00 0.00 N ATOM 49 CA SER A 6 21.958 -6.089 -1.506 1.00 0.00 C ATOM 50 C SER A 6 22.577 -7.037 -2.529 1.00 0.00 C ATOM 51 O SER A 6 23.774 -6.975 -2.804 1.00 0.00 O ATOM 52 CB SER A 6 21.995 -4.654 -2.035 1.00 0.00 C ATOM 53 OG SER A 6 23.289 -4.318 -2.505 1.00 0.00 O ATOM 0 H SER A 6 23.479 -6.779 -0.237 1.00 0.00 H new ATOM 0 HA SER A 6 20.921 -6.383 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.271 -4.542 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.701 -3.964 -1.244 1.00 0.00 H new ATOM 0 HG SER A 6 23.813 -5.136 -2.633 1.00 0.00 H new ATOM 59 N GLY A 7 21.750 -7.915 -3.089 1.00 0.00 N ATOM 60 CA GLY A 7 22.233 -8.864 -4.075 1.00 0.00 C ATOM 61 C GLY A 7 21.238 -9.976 -4.345 1.00 0.00 C ATOM 62 O GLY A 7 20.857 -10.712 -3.435 1.00 0.00 O ATOM 0 H GLY A 7 20.755 -7.986 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.448 -8.339 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.172 -9.297 -3.729 1.00 0.00 H new ATOM 66 N MET A 8 20.815 -10.097 -5.599 1.00 0.00 N ATOM 67 CA MET A 8 19.858 -11.127 -5.986 1.00 0.00 C ATOM 68 C MET A 8 20.120 -11.605 -7.411 1.00 0.00 C ATOM 69 O MET A 8 20.156 -10.806 -8.346 1.00 0.00 O ATOM 70 CB MET A 8 18.429 -10.596 -5.868 1.00 0.00 C ATOM 71 CG MET A 8 18.011 -10.288 -4.439 1.00 0.00 C ATOM 72 SD MET A 8 17.596 -11.772 -3.503 1.00 0.00 S ATOM 73 CE MET A 8 16.543 -11.084 -2.227 1.00 0.00 C ATOM 0 H MET A 8 21.120 -9.495 -6.364 1.00 0.00 H new ATOM 0 HA MET A 8 19.980 -11.973 -5.310 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.336 -9.691 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.742 -11.330 -6.289 1.00 0.00 H new ATOM 0 HG2 MET A 8 18.819 -9.759 -3.934 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.151 -9.619 -4.452 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.205 -11.881 -1.565 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.103 -10.348 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.680 -10.604 -2.688 1.00 0.00 H new ATOM 83 N ALA A 9 20.302 -12.912 -7.568 1.00 0.00 N ATOM 84 CA ALA A 9 20.559 -13.495 -8.880 1.00 0.00 C ATOM 85 C ALA A 9 20.334 -15.003 -8.863 1.00 0.00 C ATOM 86 O ALA A 9 20.953 -15.724 -8.081 1.00 0.00 O ATOM 87 CB ALA A 9 21.976 -13.176 -9.331 1.00 0.00 C ATOM 0 H ALA A 9 20.276 -13.587 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 9 19.857 -13.057 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 9 22.154 -13.617 -10.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.104 -12.095 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.687 -13.586 -8.614 1.00 0.00 H new ATOM 93 N SER A 10 19.443 -15.473 -9.731 1.00 0.00 N ATOM 94 CA SER A 10 19.133 -16.896 -9.812 1.00 0.00 C ATOM 95 C SER A 10 18.354 -17.210 -11.086 1.00 0.00 C ATOM 96 O SER A 10 17.743 -16.326 -11.687 1.00 0.00 O ATOM 97 CB SER A 10 18.328 -17.335 -8.588 1.00 0.00 C ATOM 98 OG SER A 10 17.161 -16.546 -8.434 1.00 0.00 O ATOM 0 H SER A 10 18.924 -14.890 -10.387 1.00 0.00 H new ATOM 0 HA SER A 10 20.073 -17.447 -9.836 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.050 -18.384 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 10 18.946 -17.253 -7.694 1.00 0.00 H new ATOM 0 HG SER A 10 16.664 -16.848 -7.646 1.00 0.00 H new ATOM 104 N SER A 11 18.382 -18.475 -11.493 1.00 0.00 N ATOM 105 CA SER A 11 17.683 -18.907 -12.697 1.00 0.00 C ATOM 106 C SER A 11 16.258 -18.361 -12.723 1.00 0.00 C ATOM 107 O SER A 11 15.502 -18.522 -11.766 1.00 0.00 O ATOM 108 CB SER A 11 17.658 -20.434 -12.778 1.00 0.00 C ATOM 109 OG SER A 11 16.666 -20.974 -11.921 1.00 0.00 O ATOM 0 H SER A 11 18.882 -19.219 -11.006 1.00 0.00 H new ATOM 0 HA SER A 11 18.220 -18.514 -13.560 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.464 -20.744 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.635 -20.832 -12.504 1.00 0.00 H new ATOM 0 HG SER A 11 16.093 -20.252 -11.588 1.00 0.00 H new ATOM 115 N VAL A 12 15.900 -17.714 -13.827 1.00 0.00 N ATOM 116 CA VAL A 12 14.566 -17.144 -13.980 1.00 0.00 C ATOM 117 C VAL A 12 13.718 -17.978 -14.934 1.00 0.00 C ATOM 118 O VAL A 12 14.223 -18.521 -15.918 1.00 0.00 O ATOM 119 CB VAL A 12 14.630 -15.696 -14.501 1.00 0.00 C ATOM 120 CG1 VAL A 12 13.230 -15.143 -14.716 1.00 0.00 C ATOM 121 CG2 VAL A 12 15.418 -14.819 -13.539 1.00 0.00 C ATOM 0 H VAL A 12 16.514 -17.571 -14.629 1.00 0.00 H new ATOM 0 HA VAL A 12 14.106 -17.147 -12.992 1.00 0.00 H new ATOM 0 HB VAL A 12 15.145 -15.696 -15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.296 -14.119 -15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.704 -15.758 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.685 -15.155 -13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.454 -13.799 -13.922 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.933 -14.823 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.432 -15.206 -13.442 1.00 0.00 H new ATOM 131 N LEU A 13 12.427 -18.076 -14.638 1.00 0.00 N ATOM 132 CA LEU A 13 11.507 -18.845 -15.470 1.00 0.00 C ATOM 133 C LEU A 13 10.113 -18.228 -15.452 1.00 0.00 C ATOM 134 O LEU A 13 9.753 -17.511 -14.518 1.00 0.00 O ATOM 135 CB LEU A 13 11.442 -20.295 -14.987 1.00 0.00 C ATOM 136 CG LEU A 13 12.685 -21.146 -15.249 1.00 0.00 C ATOM 137 CD1 LEU A 13 12.704 -22.360 -14.334 1.00 0.00 C ATOM 138 CD2 LEU A 13 12.740 -21.575 -16.708 1.00 0.00 C ATOM 0 H LEU A 13 11.993 -17.633 -13.828 1.00 0.00 H new ATOM 0 HA LEU A 13 11.880 -18.826 -16.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.248 -20.291 -13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.589 -20.778 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 13 13.567 -20.542 -15.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.596 -22.953 -14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.713 -22.032 -13.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.816 -22.966 -14.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.631 -22.180 -16.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.853 -22.161 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.775 -20.692 -17.346 1.00 0.00 H new ATOM 150 N GLU A 14 9.331 -18.513 -16.489 1.00 0.00 N ATOM 151 CA GLU A 14 7.975 -17.987 -16.591 1.00 0.00 C ATOM 152 C GLU A 14 7.022 -19.042 -17.145 1.00 0.00 C ATOM 153 O GLU A 14 7.143 -19.459 -18.296 1.00 0.00 O ATOM 154 CB GLU A 14 7.952 -16.744 -17.483 1.00 0.00 C ATOM 155 CG GLU A 14 8.564 -15.516 -16.832 1.00 0.00 C ATOM 156 CD GLU A 14 10.060 -15.418 -17.059 1.00 0.00 C ATOM 157 OE1 GLU A 14 10.530 -15.874 -18.123 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.761 -14.886 -16.174 1.00 0.00 O ATOM 0 H GLU A 14 9.614 -19.105 -17.270 1.00 0.00 H new ATOM 0 HA GLU A 14 7.643 -17.713 -15.590 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.488 -16.960 -18.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.920 -16.523 -17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.081 -14.622 -17.227 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.364 -15.540 -15.761 1.00 0.00 H new ATOM 165 N MET A 15 6.076 -19.470 -16.316 1.00 0.00 N ATOM 166 CA MET A 15 5.102 -20.476 -16.723 1.00 0.00 C ATOM 167 C MET A 15 4.087 -19.887 -17.698 1.00 0.00 C ATOM 168 O MET A 15 4.209 -18.735 -18.114 1.00 0.00 O ATOM 169 CB MET A 15 4.380 -21.043 -15.498 1.00 0.00 C ATOM 170 CG MET A 15 3.658 -19.987 -14.676 1.00 0.00 C ATOM 171 SD MET A 15 1.958 -19.729 -15.216 1.00 0.00 S ATOM 172 CE MET A 15 1.262 -21.355 -14.934 1.00 0.00 C ATOM 0 H MET A 15 5.963 -19.136 -15.359 1.00 0.00 H new ATOM 0 HA MET A 15 5.637 -21.281 -17.226 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.659 -21.792 -15.826 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.104 -21.553 -14.863 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.661 -20.284 -13.627 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.203 -19.045 -14.742 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.202 -21.261 -14.698 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.382 -21.963 -15.831 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.778 -21.832 -14.101 1.00 0.00 H new ATOM 182 N ILE A 16 3.088 -20.685 -18.059 1.00 0.00 N ATOM 183 CA ILE A 16 2.053 -20.242 -18.985 1.00 0.00 C ATOM 184 C ILE A 16 1.310 -19.028 -18.438 1.00 0.00 C ATOM 185 O ILE A 16 0.419 -19.157 -17.598 1.00 0.00 O ATOM 186 CB ILE A 16 1.038 -21.364 -19.273 1.00 0.00 C ATOM 187 CG1 ILE A 16 1.746 -22.582 -19.869 1.00 0.00 C ATOM 188 CG2 ILE A 16 -0.050 -20.865 -20.212 1.00 0.00 C ATOM 189 CD1 ILE A 16 2.384 -22.311 -21.214 1.00 0.00 C ATOM 0 H ILE A 16 2.973 -21.642 -17.724 1.00 0.00 H new ATOM 0 HA ILE A 16 2.555 -19.970 -19.914 1.00 0.00 H new ATOM 0 HB ILE A 16 0.572 -21.662 -18.334 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.513 -22.923 -19.174 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.027 -23.395 -19.974 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.760 -21.669 -20.406 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.570 -20.025 -19.752 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.400 -20.543 -21.151 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.868 -23.218 -21.577 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.618 -21.999 -21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.127 -21.520 -21.112 1.00 0.00 H new ATOM 201 N LYS A 17 1.682 -17.847 -18.922 1.00 0.00 N ATOM 202 CA LYS A 17 1.050 -16.608 -18.485 1.00 0.00 C ATOM 203 C LYS A 17 0.044 -16.116 -19.521 1.00 0.00 C ATOM 204 O LYS A 17 0.404 -15.834 -20.663 1.00 0.00 O ATOM 205 CB LYS A 17 2.109 -15.532 -18.236 1.00 0.00 C ATOM 206 CG LYS A 17 3.044 -15.854 -17.083 1.00 0.00 C ATOM 207 CD LYS A 17 2.308 -15.862 -15.753 1.00 0.00 C ATOM 208 CE LYS A 17 3.216 -16.306 -14.617 1.00 0.00 C ATOM 209 NZ LYS A 17 2.439 -16.805 -13.448 1.00 0.00 N ATOM 0 H LYS A 17 2.418 -17.722 -19.617 1.00 0.00 H new ATOM 0 HA LYS A 17 0.519 -16.808 -17.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.698 -15.397 -19.143 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.611 -14.584 -18.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.507 -16.827 -17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.849 -15.120 -17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.922 -14.864 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.449 -16.529 -15.815 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.883 -17.092 -14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.844 -15.471 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.046 -16.809 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.622 -16.183 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.106 -17.771 -13.639 1.00 0.00 H new ATOM 269 N THR A 21 0.298 -11.170 -15.973 1.00 0.00 N ATOM 270 CA THR A 21 1.614 -10.660 -15.608 1.00 0.00 C ATOM 271 C THR A 21 1.647 -9.137 -15.660 1.00 0.00 C ATOM 272 O THR A 21 0.866 -8.513 -16.378 1.00 0.00 O ATOM 273 CB THR A 21 2.710 -11.218 -16.535 1.00 0.00 C ATOM 274 OG1 THR A 21 2.561 -12.636 -16.672 1.00 0.00 O ATOM 275 CG2 THR A 21 4.094 -10.898 -15.991 1.00 0.00 C ATOM 0 HA THR A 21 1.809 -10.990 -14.588 1.00 0.00 H new ATOM 0 HB THR A 21 2.603 -10.746 -17.512 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.640 -12.891 -16.455 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.851 -11.302 -16.663 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.215 -9.817 -15.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.209 -11.345 -15.004 1.00 0.00 H new ATOM 283 N CYS A 22 2.557 -8.544 -14.895 1.00 0.00 N ATOM 284 CA CYS A 22 2.694 -7.093 -14.853 1.00 0.00 C ATOM 285 C CYS A 22 2.980 -6.533 -16.244 1.00 0.00 C ATOM 286 O CYS A 22 3.982 -6.863 -16.879 1.00 0.00 O ATOM 287 CB CYS A 22 3.813 -6.692 -13.890 1.00 0.00 C ATOM 288 SG CYS A 22 3.690 -4.980 -13.279 1.00 0.00 S ATOM 0 H CYS A 22 3.211 -9.046 -14.295 1.00 0.00 H new ATOM 0 HA CYS A 22 1.752 -6.675 -14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.806 -7.372 -13.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.772 -6.820 -14.391 1.00 0.00 H new ATOM 0 HG CYS A 22 3.317 -4.199 -14.249 1.00 0.00 H new ATOM 293 N PRO A 23 2.080 -5.666 -16.730 1.00 0.00 N ATOM 294 CA PRO A 23 2.214 -5.042 -18.049 1.00 0.00 C ATOM 295 C PRO A 23 3.357 -4.034 -18.100 1.00 0.00 C ATOM 296 O PRO A 23 3.538 -3.337 -19.099 1.00 0.00 O ATOM 297 CB PRO A 23 0.870 -4.336 -18.246 1.00 0.00 C ATOM 298 CG PRO A 23 0.371 -4.079 -16.866 1.00 0.00 C ATOM 299 CD PRO A 23 0.862 -5.228 -16.028 1.00 0.00 C ATOM 0 HA PRO A 23 2.445 -5.773 -18.824 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.989 -3.407 -18.803 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.175 -4.959 -18.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.747 -3.129 -16.485 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.717 -4.020 -16.849 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.077 -4.917 -15.006 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.123 -6.027 -15.969 1.00 0.00 H new ATOM 307 N ILE A 24 4.126 -3.963 -17.019 1.00 0.00 N ATOM 308 CA ILE A 24 5.252 -3.041 -16.942 1.00 0.00 C ATOM 309 C ILE A 24 6.578 -3.795 -16.918 1.00 0.00 C ATOM 310 O ILE A 24 7.355 -3.736 -17.872 1.00 0.00 O ATOM 311 CB ILE A 24 5.162 -2.145 -15.693 1.00 0.00 C ATOM 312 CG1 ILE A 24 3.934 -1.236 -15.778 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.430 -1.318 -15.542 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.405 -0.807 -14.428 1.00 0.00 C ATOM 0 H ILE A 24 3.990 -4.533 -16.184 1.00 0.00 H new ATOM 0 HA ILE A 24 5.208 -2.414 -17.833 1.00 0.00 H new ATOM 0 HB ILE A 24 5.060 -2.781 -14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.188 -0.349 -16.358 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.144 -1.756 -16.320 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.351 -0.690 -14.655 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.288 -1.983 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.561 -0.688 -16.422 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.535 -0.165 -14.565 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.119 -1.688 -13.853 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.179 -0.259 -13.891 1.00 0.00 H new ATOM 326 N CYS A 25 6.830 -4.504 -15.823 1.00 0.00 N ATOM 327 CA CYS A 25 8.061 -5.271 -15.674 1.00 0.00 C ATOM 328 C CYS A 25 7.951 -6.618 -16.382 1.00 0.00 C ATOM 329 O CYS A 25 8.953 -7.187 -16.817 1.00 0.00 O ATOM 330 CB CYS A 25 8.378 -5.484 -14.193 1.00 0.00 C ATOM 331 SG CYS A 25 7.011 -6.221 -13.239 1.00 0.00 S ATOM 0 H CYS A 25 6.197 -4.563 -15.025 1.00 0.00 H new ATOM 0 HA CYS A 25 8.871 -4.704 -16.133 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.254 -6.127 -14.109 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.642 -4.525 -13.747 1.00 0.00 H new ATOM 0 HG CYS A 25 5.957 -5.466 -13.337 1.00 0.00 H new ATOM 336 N LEU A 26 6.727 -7.123 -16.493 1.00 0.00 N ATOM 337 CA LEU A 26 6.485 -8.404 -17.148 1.00 0.00 C ATOM 338 C LEU A 26 7.055 -9.554 -16.324 1.00 0.00 C ATOM 339 O LEU A 26 7.778 -10.403 -16.843 1.00 0.00 O ATOM 340 CB LEU A 26 7.103 -8.409 -18.547 1.00 0.00 C ATOM 341 CG LEU A 26 6.774 -7.205 -19.430 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.664 -7.189 -20.664 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.306 -7.222 -19.830 1.00 0.00 C ATOM 0 H LEU A 26 5.887 -6.665 -16.138 1.00 0.00 H new ATOM 0 HA LEU A 26 5.407 -8.542 -17.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.186 -8.473 -18.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.778 -9.312 -19.063 1.00 0.00 H new ATOM 0 HG LEU A 26 6.964 -6.297 -18.858 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.416 -6.325 -21.281 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.709 -7.128 -20.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.506 -8.102 -21.238 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.090 -6.358 -20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.090 -8.136 -20.384 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.685 -7.185 -18.935 1.00 0.00 H new ATOM 355 N GLU A 27 6.722 -9.574 -15.037 1.00 0.00 N ATOM 356 CA GLU A 27 7.201 -10.621 -14.141 1.00 0.00 C ATOM 357 C GLU A 27 6.214 -10.855 -13.001 1.00 0.00 C ATOM 358 O GLU A 27 5.343 -10.024 -12.738 1.00 0.00 O ATOM 359 CB GLU A 27 8.573 -10.250 -13.575 1.00 0.00 C ATOM 360 CG GLU A 27 8.514 -9.210 -12.469 1.00 0.00 C ATOM 361 CD GLU A 27 9.621 -9.382 -11.447 1.00 0.00 C ATOM 362 OE1 GLU A 27 9.563 -10.355 -10.667 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.546 -8.543 -11.428 1.00 0.00 O ATOM 0 H GLU A 27 6.123 -8.878 -14.592 1.00 0.00 H new ATOM 0 HA GLU A 27 7.290 -11.543 -14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.054 -11.150 -13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.200 -9.874 -14.383 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.581 -8.214 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.548 -9.273 -11.967 1.00 0.00 H new ATOM 370 N LEU A 28 6.356 -11.991 -12.327 1.00 0.00 N ATOM 371 CA LEU A 28 5.477 -12.336 -11.215 1.00 0.00 C ATOM 372 C LEU A 28 5.049 -11.086 -10.452 1.00 0.00 C ATOM 373 O LEU A 28 5.879 -10.384 -9.873 1.00 0.00 O ATOM 374 CB LEU A 28 6.180 -13.310 -10.268 1.00 0.00 C ATOM 375 CG LEU A 28 5.996 -14.796 -10.577 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.847 -15.644 -9.644 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.530 -15.187 -10.466 1.00 0.00 C ATOM 0 H LEU A 28 7.071 -12.689 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 28 4.586 -12.814 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.247 -13.087 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.823 -13.123 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 28 6.323 -14.977 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.703 -16.699 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.898 -15.384 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.551 -15.458 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.419 -16.248 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.177 -14.990 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.943 -14.603 -11.175 1.00 0.00 H new ATOM 389 N LEU A 29 3.748 -10.816 -10.453 1.00 0.00 N ATOM 390 CA LEU A 29 3.209 -9.652 -9.759 1.00 0.00 C ATOM 391 C LEU A 29 3.482 -9.737 -8.260 1.00 0.00 C ATOM 392 O LEU A 29 2.921 -10.582 -7.562 1.00 0.00 O ATOM 393 CB LEU A 29 1.704 -9.537 -10.008 1.00 0.00 C ATOM 394 CG LEU A 29 1.289 -9.086 -11.409 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.053 -9.692 -11.789 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.230 -7.567 -11.485 1.00 0.00 C ATOM 0 H LEU A 29 3.048 -11.387 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 29 3.705 -8.764 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.248 -10.507 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.289 -8.836 -9.284 1.00 0.00 H new ATOM 0 HG LEU A 29 2.038 -9.437 -12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.332 -9.360 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.022 -10.779 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.812 -9.372 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.933 -7.264 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.503 -7.195 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.212 -7.153 -11.257 1.00 0.00 H new ATOM 408 N LYS A 30 4.346 -8.854 -7.771 1.00 0.00 N ATOM 409 CA LYS A 30 4.692 -8.826 -6.355 1.00 0.00 C ATOM 410 C LYS A 30 3.890 -7.756 -5.620 1.00 0.00 C ATOM 411 O LYS A 30 3.984 -6.571 -5.937 1.00 0.00 O ATOM 412 CB LYS A 30 6.190 -8.565 -6.180 1.00 0.00 C ATOM 413 CG LYS A 30 7.069 -9.661 -6.757 1.00 0.00 C ATOM 414 CD LYS A 30 8.453 -9.140 -7.105 1.00 0.00 C ATOM 415 CE LYS A 30 9.274 -8.859 -5.856 1.00 0.00 C ATOM 416 NZ LYS A 30 9.611 -10.110 -5.121 1.00 0.00 N ATOM 0 H LYS A 30 4.820 -8.148 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 30 4.446 -9.798 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.444 -7.618 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.410 -8.456 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.156 -10.475 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.599 -10.073 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.972 -9.870 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.362 -8.228 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.193 -8.342 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.718 -8.190 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.379 -9.920 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.773 -10.446 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.916 -10.839 -5.797 1.00 0.00 H new ATOM 430 N GLU A 31 3.103 -8.183 -4.637 1.00 0.00 N ATOM 431 CA GLU A 31 2.286 -7.260 -3.858 1.00 0.00 C ATOM 432 C GLU A 31 1.605 -6.239 -4.765 1.00 0.00 C ATOM 433 O GLU A 31 1.692 -5.029 -4.555 1.00 0.00 O ATOM 434 CB GLU A 31 3.144 -6.540 -2.815 1.00 0.00 C ATOM 435 CG GLU A 31 4.381 -5.877 -3.397 1.00 0.00 C ATOM 436 CD GLU A 31 5.214 -5.171 -2.345 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.699 -4.957 -1.227 1.00 0.00 O ATOM 438 OE2 GLU A 31 6.379 -4.832 -2.639 1.00 0.00 O ATOM 0 H GLU A 31 3.014 -9.161 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 31 1.516 -7.838 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.537 -5.784 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.451 -7.256 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.992 -6.630 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.079 -5.158 -4.159 1.00 0.00 H new ATOM 445 N PRO A 32 0.909 -6.736 -5.798 1.00 0.00 N ATOM 446 CA PRO A 32 0.199 -5.885 -6.757 1.00 0.00 C ATOM 447 C PRO A 32 -1.018 -5.205 -6.139 1.00 0.00 C ATOM 448 O PRO A 32 -1.529 -5.643 -5.108 1.00 0.00 O ATOM 449 CB PRO A 32 -0.234 -6.867 -7.849 1.00 0.00 C ATOM 450 CG PRO A 32 -0.310 -8.187 -7.163 1.00 0.00 C ATOM 451 CD PRO A 32 0.762 -8.168 -6.109 1.00 0.00 C ATOM 0 HA PRO A 32 0.825 -5.070 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.197 -6.586 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.483 -6.888 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.293 -8.339 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.150 -9.003 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.471 -8.742 -5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.694 -8.597 -6.476 1.00 0.00 H new ATOM 459 N VAL A 33 -1.478 -4.133 -6.775 1.00 0.00 N ATOM 460 CA VAL A 33 -2.636 -3.393 -6.289 1.00 0.00 C ATOM 461 C VAL A 33 -3.644 -3.153 -7.407 1.00 0.00 C ATOM 462 O VAL A 33 -3.348 -2.471 -8.388 1.00 0.00 O ATOM 463 CB VAL A 33 -2.223 -2.037 -5.685 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.289 -2.242 -4.502 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.572 -1.159 -6.743 1.00 0.00 C ATOM 0 H VAL A 33 -1.066 -3.757 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.098 -4.003 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.119 -1.530 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.008 -1.274 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.795 -2.830 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.394 -2.769 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.287 -0.205 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.685 -1.657 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.277 -0.984 -7.555 1.00 0.00 H new ATOM 475 N SER A 34 -4.837 -3.718 -7.251 1.00 0.00 N ATOM 476 CA SER A 34 -5.890 -3.568 -8.249 1.00 0.00 C ATOM 477 C SER A 34 -6.303 -2.106 -8.388 1.00 0.00 C ATOM 478 O SER A 34 -6.234 -1.336 -7.430 1.00 0.00 O ATOM 479 CB SER A 34 -7.104 -4.419 -7.873 1.00 0.00 C ATOM 480 OG SER A 34 -6.729 -5.765 -7.634 1.00 0.00 O ATOM 0 H SER A 34 -5.099 -4.284 -6.443 1.00 0.00 H new ATOM 0 HA SER A 34 -5.499 -3.910 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.579 -4.007 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.841 -4.380 -8.675 1.00 0.00 H new ATOM 0 HG SER A 34 -7.522 -6.288 -7.394 1.00 0.00 H new ATOM 486 N ALA A 35 -6.733 -1.730 -9.588 1.00 0.00 N ATOM 487 CA ALA A 35 -7.160 -0.362 -9.853 1.00 0.00 C ATOM 488 C ALA A 35 -8.549 -0.332 -10.482 1.00 0.00 C ATOM 489 O ALA A 35 -9.118 -1.375 -10.801 1.00 0.00 O ATOM 490 CB ALA A 35 -6.155 0.339 -10.756 1.00 0.00 C ATOM 0 H ALA A 35 -6.795 -2.354 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.209 0.167 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.487 1.360 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.180 0.359 -10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.078 -0.199 -11.701 1.00 0.00 H new ATOM 496 N ASP A 36 -9.088 0.870 -10.655 1.00 0.00 N ATOM 497 CA ASP A 36 -10.411 1.036 -11.246 1.00 0.00 C ATOM 498 C ASP A 36 -10.502 0.314 -12.587 1.00 0.00 C ATOM 499 O ASP A 36 -11.537 -0.260 -12.927 1.00 0.00 O ATOM 500 CB ASP A 36 -10.729 2.520 -11.429 1.00 0.00 C ATOM 501 CG ASP A 36 -10.198 3.370 -10.291 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.182 2.881 -9.142 1.00 0.00 O ATOM 503 OD2 ASP A 36 -9.799 4.525 -10.550 1.00 0.00 O ATOM 0 H ASP A 36 -8.630 1.743 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.142 0.597 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.300 2.867 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.809 2.651 -11.503 1.00 0.00 H new ATOM 508 N CYS A 37 -9.412 0.348 -13.346 1.00 0.00 N ATOM 509 CA CYS A 37 -9.367 -0.300 -14.651 1.00 0.00 C ATOM 510 C CYS A 37 -8.969 -1.767 -14.516 1.00 0.00 C ATOM 511 O CYS A 37 -8.225 -2.297 -15.340 1.00 0.00 O ATOM 512 CB CYS A 37 -8.383 0.424 -15.571 1.00 0.00 C ATOM 513 SG CYS A 37 -6.714 0.621 -14.866 1.00 0.00 S ATOM 0 H CYS A 37 -8.547 0.818 -13.079 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.365 -0.250 -15.087 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.307 -0.126 -16.509 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.783 1.409 -15.811 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.884 0.963 -15.806 1.00 0.00 H new ATOM 518 N ASN A 38 -9.471 -2.417 -13.471 1.00 0.00 N ATOM 519 CA ASN A 38 -9.168 -3.823 -13.228 1.00 0.00 C ATOM 520 C ASN A 38 -7.738 -4.151 -13.647 1.00 0.00 C ATOM 521 O ASN A 38 -7.481 -5.191 -14.255 1.00 0.00 O ATOM 522 CB ASN A 38 -10.151 -4.717 -13.985 1.00 0.00 C ATOM 523 CG ASN A 38 -10.214 -4.385 -15.463 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.399 -4.863 -16.253 1.00 0.00 O ATOM 525 ND2 ASN A 38 -11.184 -3.562 -15.844 1.00 0.00 N ATOM 0 H ASN A 38 -10.089 -1.993 -12.779 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.267 -4.011 -12.159 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.858 -5.760 -13.862 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.144 -4.611 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.276 -3.302 -16.826 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.837 -3.190 -15.155 1.00 0.00 H new ATOM 532 N HIS A 39 -6.810 -3.258 -13.316 1.00 0.00 N ATOM 533 CA HIS A 39 -5.406 -3.454 -13.657 1.00 0.00 C ATOM 534 C HIS A 39 -4.522 -3.318 -12.420 1.00 0.00 C ATOM 535 O HIS A 39 -4.447 -2.249 -11.815 1.00 0.00 O ATOM 536 CB HIS A 39 -4.972 -2.445 -14.721 1.00 0.00 C ATOM 537 CG HIS A 39 -5.621 -2.664 -16.053 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.699 -1.685 -17.022 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.222 -3.758 -16.576 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.323 -2.167 -18.082 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.650 -3.423 -17.838 1.00 0.00 N ATOM 0 H HIS A 39 -7.005 -2.393 -12.813 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.292 -4.462 -14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.206 -1.439 -14.373 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.890 -2.498 -14.840 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.332 -0.737 -16.934 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.343 -4.716 -16.092 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.530 -1.626 -18.993 1.00 0.00 H new ATOM 549 N SER A 40 -3.857 -4.407 -12.051 1.00 0.00 N ATOM 550 CA SER A 40 -2.983 -4.411 -10.884 1.00 0.00 C ATOM 551 C SER A 40 -1.517 -4.382 -11.304 1.00 0.00 C ATOM 552 O SER A 40 -1.158 -4.858 -12.381 1.00 0.00 O ATOM 553 CB SER A 40 -3.254 -5.645 -10.021 1.00 0.00 C ATOM 554 OG SER A 40 -4.646 -5.881 -9.891 1.00 0.00 O ATOM 0 H SER A 40 -3.907 -5.299 -12.543 1.00 0.00 H new ATOM 0 HA SER A 40 -3.194 -3.515 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.774 -6.517 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.812 -5.507 -9.034 1.00 0.00 H new ATOM 0 HG SER A 40 -4.793 -6.676 -9.336 1.00 0.00 H new ATOM 560 N PHE A 41 -0.673 -3.820 -10.444 1.00 0.00 N ATOM 561 CA PHE A 41 0.755 -3.728 -10.725 1.00 0.00 C ATOM 562 C PHE A 41 1.568 -3.788 -9.435 1.00 0.00 C ATOM 563 O PHE A 41 1.126 -3.318 -8.386 1.00 0.00 O ATOM 564 CB PHE A 41 1.066 -2.432 -11.477 1.00 0.00 C ATOM 565 CG PHE A 41 -0.054 -1.970 -12.364 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.045 -1.134 -11.874 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.117 -2.373 -13.688 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.077 -0.707 -12.688 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.147 -1.949 -14.507 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.128 -1.116 -14.007 1.00 0.00 C ATOM 0 H PHE A 41 -0.953 -3.422 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 41 1.033 -4.578 -11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.294 -1.648 -10.755 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.961 -2.578 -12.082 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.010 -0.812 -10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.647 -3.025 -14.085 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.842 -0.055 -12.294 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.184 -2.269 -15.538 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.934 -0.785 -14.645 1.00 0.00 H new ATOM 580 N CYS A 42 2.759 -4.371 -9.520 1.00 0.00 N ATOM 581 CA CYS A 42 3.635 -4.495 -8.361 1.00 0.00 C ATOM 582 C CYS A 42 3.608 -3.222 -7.520 1.00 0.00 C ATOM 583 O CYS A 42 3.826 -2.123 -8.032 1.00 0.00 O ATOM 584 CB CYS A 42 5.067 -4.795 -8.807 1.00 0.00 C ATOM 585 SG CYS A 42 5.200 -6.150 -10.018 1.00 0.00 S ATOM 0 H CYS A 42 3.140 -4.765 -10.380 1.00 0.00 H new ATOM 0 HA CYS A 42 3.272 -5.321 -7.749 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.498 -3.892 -9.239 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.664 -5.046 -7.930 1.00 0.00 H new ATOM 0 HG CYS A 42 4.703 -5.765 -11.156 1.00 0.00 H new ATOM 590 N ARG A 43 3.341 -3.378 -6.228 1.00 0.00 N ATOM 591 CA ARG A 43 3.285 -2.241 -5.317 1.00 0.00 C ATOM 592 C ARG A 43 4.300 -1.174 -5.716 1.00 0.00 C ATOM 593 O ARG A 43 3.985 0.015 -5.746 1.00 0.00 O ATOM 594 CB ARG A 43 3.547 -2.698 -3.881 1.00 0.00 C ATOM 595 CG ARG A 43 3.597 -1.558 -2.878 1.00 0.00 C ATOM 596 CD ARG A 43 2.209 -1.008 -2.590 1.00 0.00 C ATOM 597 NE ARG A 43 2.235 0.043 -1.576 1.00 0.00 N ATOM 598 CZ ARG A 43 1.308 0.989 -1.473 1.00 0.00 C ATOM 599 NH1 ARG A 43 0.286 1.014 -2.318 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.402 1.911 -0.523 1.00 0.00 N ATOM 0 H ARG A 43 3.160 -4.280 -5.788 1.00 0.00 H new ATOM 0 HA ARG A 43 2.286 -1.808 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.766 -3.398 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.492 -3.241 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.051 -1.908 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.233 -0.761 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.778 -0.613 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.561 -1.818 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 43 3.008 0.051 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.211 0.306 -3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.425 1.741 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.186 1.894 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.690 2.637 -0.445 1.00 0.00 H new ATOM 614 N ALA A 44 5.518 -1.608 -6.021 1.00 0.00 N ATOM 615 CA ALA A 44 6.579 -0.691 -6.419 1.00 0.00 C ATOM 616 C ALA A 44 6.323 -0.128 -7.813 1.00 0.00 C ATOM 617 O ALA A 44 6.294 1.088 -8.007 1.00 0.00 O ATOM 618 CB ALA A 44 7.928 -1.392 -6.371 1.00 0.00 C ATOM 0 H ALA A 44 5.795 -2.589 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 44 6.589 0.141 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.711 -0.695 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.121 -1.740 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.920 -2.243 -7.052 1.00 0.00 H new ATOM 624 N CYS A 45 6.138 -1.019 -8.781 1.00 0.00 N ATOM 625 CA CYS A 45 5.885 -0.611 -10.158 1.00 0.00 C ATOM 626 C CYS A 45 4.902 0.555 -10.208 1.00 0.00 C ATOM 627 O CYS A 45 5.253 1.658 -10.626 1.00 0.00 O ATOM 628 CB CYS A 45 5.339 -1.788 -10.968 1.00 0.00 C ATOM 629 SG CYS A 45 6.616 -2.958 -11.534 1.00 0.00 S ATOM 0 H CYS A 45 6.159 -2.029 -8.637 1.00 0.00 H new ATOM 0 HA CYS A 45 6.830 -0.286 -10.594 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.612 -2.327 -10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.805 -1.401 -11.836 1.00 0.00 H new ATOM 0 HG CYS A 45 6.315 -4.157 -11.132 1.00 0.00 H new ATOM 634 N ILE A 46 3.670 0.302 -9.779 1.00 0.00 N ATOM 635 CA ILE A 46 2.637 1.330 -9.774 1.00 0.00 C ATOM 636 C ILE A 46 3.182 2.654 -9.249 1.00 0.00 C ATOM 637 O ILE A 46 2.883 3.719 -9.790 1.00 0.00 O ATOM 638 CB ILE A 46 1.428 0.909 -8.917 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.387 2.029 -8.881 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.877 0.551 -7.508 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.474 2.095 -10.124 1.00 0.00 C ATOM 0 H ILE A 46 3.363 -0.606 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 46 2.313 1.457 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 46 0.971 0.028 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.255 1.889 -8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.897 2.984 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.012 0.256 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.587 -0.275 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.355 1.416 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.189 2.912 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.158 2.266 -10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.012 1.155 -10.244 1.00 0.00 H new ATOM 653 N THR A 47 3.986 2.580 -8.193 1.00 0.00 N ATOM 654 CA THR A 47 4.574 3.772 -7.595 1.00 0.00 C ATOM 655 C THR A 47 5.472 4.500 -8.589 1.00 0.00 C ATOM 656 O THR A 47 5.168 5.615 -9.015 1.00 0.00 O ATOM 657 CB THR A 47 5.393 3.424 -6.339 1.00 0.00 C ATOM 658 OG1 THR A 47 4.575 2.717 -5.400 1.00 0.00 O ATOM 659 CG2 THR A 47 5.948 4.683 -5.688 1.00 0.00 C ATOM 0 H THR A 47 4.245 1.707 -7.734 1.00 0.00 H new ATOM 0 HA THR A 47 3.748 4.424 -7.311 1.00 0.00 H new ATOM 0 HB THR A 47 6.228 2.792 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.465 1.789 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.523 4.412 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.594 5.204 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.125 5.337 -5.400 1.00 0.00 H new ATOM 667 N LEU A 48 6.579 3.863 -8.955 1.00 0.00 N ATOM 668 CA LEU A 48 7.522 4.449 -9.900 1.00 0.00 C ATOM 669 C LEU A 48 6.815 4.872 -11.184 1.00 0.00 C ATOM 670 O LEU A 48 6.906 6.024 -11.604 1.00 0.00 O ATOM 671 CB LEU A 48 8.637 3.453 -10.223 1.00 0.00 C ATOM 672 CG LEU A 48 9.613 3.147 -9.087 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.511 1.976 -9.455 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.446 4.376 -8.753 1.00 0.00 C ATOM 0 H LEU A 48 6.845 2.940 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 48 7.957 5.335 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.179 2.517 -10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.205 3.837 -11.070 1.00 0.00 H new ATOM 0 HG LEU A 48 9.037 2.873 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.199 1.773 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.899 1.093 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.079 2.221 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.135 4.139 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.012 4.682 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.788 5.189 -8.444 1.00 0.00 H new ATOM 686 N ASN A 49 6.108 3.930 -11.802 1.00 0.00 N ATOM 687 CA ASN A 49 5.384 4.206 -13.037 1.00 0.00 C ATOM 688 C ASN A 49 4.530 5.462 -12.898 1.00 0.00 C ATOM 689 O ASN A 49 4.363 6.221 -13.854 1.00 0.00 O ATOM 690 CB ASN A 49 4.500 3.014 -13.411 1.00 0.00 C ATOM 691 CG ASN A 49 4.331 2.867 -14.911 1.00 0.00 C ATOM 692 OD1 ASN A 49 4.800 1.898 -15.508 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.659 3.832 -15.527 1.00 0.00 N ATOM 0 H ASN A 49 6.022 2.970 -11.468 1.00 0.00 H new ATOM 0 HA ASN A 49 6.115 4.371 -13.828 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.936 2.101 -13.006 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.520 3.132 -12.948 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.514 3.789 -16.536 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.288 4.617 -14.992 1.00 0.00 H new ATOM 700 N TYR A 50 3.992 5.676 -11.703 1.00 0.00 N ATOM 701 CA TYR A 50 3.153 6.839 -11.439 1.00 0.00 C ATOM 702 C TYR A 50 4.003 8.094 -11.263 1.00 0.00 C ATOM 703 O TYR A 50 3.856 9.064 -12.006 1.00 0.00 O ATOM 704 CB TYR A 50 2.301 6.607 -10.190 1.00 0.00 C ATOM 705 CG TYR A 50 1.893 7.884 -9.490 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.691 8.441 -8.499 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.709 8.532 -9.819 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.322 9.607 -7.856 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.333 9.699 -9.183 1.00 0.00 C ATOM 710 CZ TYR A 50 1.142 10.232 -8.202 1.00 0.00 C ATOM 711 OH TYR A 50 0.770 11.394 -7.564 1.00 0.00 O ATOM 0 H TYR A 50 4.122 5.059 -10.901 1.00 0.00 H new ATOM 0 HA TYR A 50 2.496 6.984 -12.296 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.405 6.053 -10.469 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.857 5.982 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.616 7.954 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.072 8.116 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.954 10.027 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.590 10.191 -9.453 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.086 11.706 -7.926 1.00 0.00 H new ATOM 721 N GLU A 51 4.891 8.066 -10.275 1.00 0.00 N ATOM 722 CA GLU A 51 5.764 9.201 -10.001 1.00 0.00 C ATOM 723 C GLU A 51 6.576 9.575 -11.238 1.00 0.00 C ATOM 724 O GLU A 51 7.007 10.718 -11.389 1.00 0.00 O ATOM 725 CB GLU A 51 6.705 8.880 -8.838 1.00 0.00 C ATOM 726 CG GLU A 51 7.509 7.607 -9.039 1.00 0.00 C ATOM 727 CD GLU A 51 8.886 7.681 -8.409 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.807 8.225 -9.053 1.00 0.00 O ATOM 729 OE2 GLU A 51 9.043 7.193 -7.269 1.00 0.00 O ATOM 0 H GLU A 51 5.025 7.270 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 51 5.138 10.050 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.392 9.715 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.120 8.789 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.963 6.766 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.612 7.412 -10.106 1.00 0.00 H new ATOM 861 N ASN A 61 -1.537 8.200 -15.186 1.00 0.00 N ATOM 862 CA ASN A 61 -1.999 7.477 -16.365 1.00 0.00 C ATOM 863 C ASN A 61 -1.579 6.012 -16.304 1.00 0.00 C ATOM 864 O ASN A 61 -0.447 5.694 -15.938 1.00 0.00 O ATOM 865 CB ASN A 61 -1.445 8.126 -17.636 1.00 0.00 C ATOM 866 CG ASN A 61 -0.034 8.648 -17.450 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.931 7.883 -17.466 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.093 9.958 -17.271 1.00 0.00 N ATOM 0 HA ASN A 61 -3.088 7.523 -16.386 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.456 7.398 -18.447 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.097 8.947 -17.935 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.018 10.367 -17.140 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.734 10.554 -17.265 1.00 0.00 H new ATOM 875 N CYS A 62 -2.499 5.123 -16.665 1.00 0.00 N ATOM 876 CA CYS A 62 -2.225 3.691 -16.652 1.00 0.00 C ATOM 877 C CYS A 62 -1.318 3.300 -17.815 1.00 0.00 C ATOM 878 O CYS A 62 -1.548 3.671 -18.966 1.00 0.00 O ATOM 879 CB CYS A 62 -3.533 2.901 -16.723 1.00 0.00 C ATOM 880 SG CYS A 62 -3.350 1.126 -16.356 1.00 0.00 S ATOM 0 H CYS A 62 -3.441 5.369 -16.970 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.713 3.452 -15.720 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.246 3.335 -16.021 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.959 3.013 -17.720 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.767 0.979 -15.203 1.00 0.00 H new ATOM 885 N PRO A 63 -0.262 2.532 -17.509 1.00 0.00 N ATOM 886 CA PRO A 63 0.701 2.072 -18.514 1.00 0.00 C ATOM 887 C PRO A 63 0.101 1.040 -19.462 1.00 0.00 C ATOM 888 O PRO A 63 0.809 0.436 -20.268 1.00 0.00 O ATOM 889 CB PRO A 63 1.817 1.444 -17.676 1.00 0.00 C ATOM 890 CG PRO A 63 1.152 1.035 -16.407 1.00 0.00 C ATOM 891 CD PRO A 63 0.073 2.052 -16.158 1.00 0.00 C ATOM 0 HA PRO A 63 1.039 2.885 -19.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.260 0.588 -18.185 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.621 2.156 -17.490 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.732 0.033 -16.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.865 1.013 -15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.791 1.608 -15.664 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.424 2.862 -15.519 1.00 0.00 H new ATOM 899 N VAL A 64 -1.210 0.842 -19.362 1.00 0.00 N ATOM 900 CA VAL A 64 -1.906 -0.117 -20.212 1.00 0.00 C ATOM 901 C VAL A 64 -3.067 0.543 -20.947 1.00 0.00 C ATOM 902 O VAL A 64 -3.129 0.524 -22.177 1.00 0.00 O ATOM 903 CB VAL A 64 -2.440 -1.308 -19.394 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.236 -2.251 -20.282 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.294 -2.042 -18.714 1.00 0.00 C ATOM 0 H VAL A 64 -1.811 1.333 -18.701 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.180 -0.482 -20.939 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.107 -0.927 -18.621 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.605 -3.086 -19.687 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.079 -1.715 -20.718 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.595 -2.629 -21.079 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.689 -2.881 -18.140 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.601 -2.413 -19.469 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.770 -1.359 -18.045 1.00 0.00 H new ATOM 915 N CYS A 65 -3.988 1.125 -20.186 1.00 0.00 N ATOM 916 CA CYS A 65 -5.149 1.791 -20.764 1.00 0.00 C ATOM 917 C CYS A 65 -4.968 3.306 -20.754 1.00 0.00 C ATOM 918 O CYS A 65 -5.714 4.035 -21.407 1.00 0.00 O ATOM 919 CB CYS A 65 -6.415 1.413 -19.993 1.00 0.00 C ATOM 920 SG CYS A 65 -6.335 1.772 -18.209 1.00 0.00 S ATOM 0 H CYS A 65 -3.953 1.149 -19.167 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.249 1.461 -21.798 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.262 1.948 -20.423 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.607 0.349 -20.130 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.235 1.284 -17.717 1.00 0.00 H new ATOM 925 N ARG A 66 -3.970 3.773 -20.009 1.00 0.00 N ATOM 926 CA ARG A 66 -3.691 5.200 -19.914 1.00 0.00 C ATOM 927 C ARG A 66 -4.900 5.955 -19.368 1.00 0.00 C ATOM 928 O ARG A 66 -5.269 7.012 -19.880 1.00 0.00 O ATOM 929 CB ARG A 66 -3.305 5.759 -21.284 1.00 0.00 C ATOM 930 CG ARG A 66 -2.037 5.145 -21.857 1.00 0.00 C ATOM 931 CD ARG A 66 -0.794 5.711 -21.189 1.00 0.00 C ATOM 932 NE ARG A 66 0.386 5.596 -22.042 1.00 0.00 N ATOM 933 CZ ARG A 66 0.958 4.438 -22.352 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.461 3.302 -21.883 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.030 4.415 -23.135 1.00 0.00 N ATOM 0 H ARG A 66 -3.342 3.183 -19.463 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.857 5.336 -19.226 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.127 5.591 -21.980 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.172 6.838 -21.203 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.063 4.063 -21.724 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.993 5.333 -22.930 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.961 6.759 -20.941 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.616 5.186 -20.251 1.00 0.00 H new ATOM 0 HE ARG A 66 0.793 6.451 -22.420 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.363 3.315 -21.282 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.903 2.414 -22.123 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.415 5.287 -23.499 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.469 3.525 -23.373 1.00 0.00 H new ATOM 949 N VAL A 67 -5.512 5.405 -18.324 1.00 0.00 N ATOM 950 CA VAL A 67 -6.678 6.026 -17.707 1.00 0.00 C ATOM 951 C VAL A 67 -6.309 6.706 -16.393 1.00 0.00 C ATOM 952 O VAL A 67 -5.570 6.163 -15.571 1.00 0.00 O ATOM 953 CB VAL A 67 -7.791 4.994 -17.444 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.386 4.046 -16.325 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.100 5.695 -17.113 1.00 0.00 C ATOM 0 H VAL A 67 -5.220 4.531 -17.888 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.046 6.775 -18.409 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.940 4.406 -18.350 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.184 3.324 -16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.474 3.519 -16.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.209 4.615 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.875 4.951 -16.930 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.969 6.309 -16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.395 6.328 -17.950 1.00 0.00 H new ATOM 965 N PRO A 68 -6.835 7.922 -16.188 1.00 0.00 N ATOM 966 CA PRO A 68 -6.575 8.702 -14.974 1.00 0.00 C ATOM 967 C PRO A 68 -7.243 8.099 -13.743 1.00 0.00 C ATOM 968 O PRO A 68 -8.461 8.176 -13.586 1.00 0.00 O ATOM 969 CB PRO A 68 -7.182 10.070 -15.295 1.00 0.00 C ATOM 970 CG PRO A 68 -8.233 9.789 -16.313 1.00 0.00 C ATOM 971 CD PRO A 68 -7.723 8.630 -17.125 1.00 0.00 C ATOM 0 HA PRO A 68 -5.513 8.737 -14.732 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.607 10.533 -14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.429 10.756 -15.683 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.182 9.544 -15.837 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.408 10.660 -16.944 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.537 7.991 -17.468 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.186 8.966 -18.012 1.00 0.00 H new ATOM 979 N TYR A 69 -6.438 7.499 -12.874 1.00 0.00 N ATOM 980 CA TYR A 69 -6.951 6.880 -11.657 1.00 0.00 C ATOM 981 C TYR A 69 -6.414 7.588 -10.417 1.00 0.00 C ATOM 982 O TYR A 69 -5.244 7.963 -10.343 1.00 0.00 O ATOM 983 CB TYR A 69 -6.574 5.398 -11.615 1.00 0.00 C ATOM 984 CG TYR A 69 -5.082 5.153 -11.597 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.378 5.128 -10.400 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.377 4.949 -12.777 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.014 4.905 -10.378 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.014 4.724 -12.764 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.337 4.703 -11.563 1.00 0.00 C ATOM 990 OH TYR A 69 -0.979 4.481 -11.546 1.00 0.00 O ATOM 0 H TYR A 69 -5.427 7.428 -12.989 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.037 6.972 -11.664 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.019 4.943 -10.730 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.006 4.897 -12.482 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.905 5.285 -9.471 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.903 4.967 -13.720 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.481 4.889 -9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.481 4.565 -13.690 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.656 4.357 -12.463 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.290 7.776 -9.419 1.00 0.00 N ATOM 1001 CA PRO A 70 -6.928 8.439 -8.163 1.00 0.00 C ATOM 1002 C PRO A 70 -5.989 7.593 -7.310 1.00 0.00 C ATOM 1003 O PRO A 70 -6.382 6.554 -6.780 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.274 8.620 -7.456 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.142 7.546 -8.015 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.701 7.356 -9.440 1.00 0.00 C ATOM 0 HA PRO A 70 -6.392 9.372 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.170 8.523 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.693 9.608 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.034 6.622 -7.447 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.193 7.829 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.807 6.319 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.291 7.962 -10.127 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.745 8.044 -7.182 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.750 7.327 -6.394 1.00 0.00 C ATOM 1016 C PHE A 71 -4.267 7.050 -4.985 1.00 0.00 C ATOM 1017 O PHE A 71 -5.082 7.803 -4.453 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.450 8.131 -6.323 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.333 7.405 -5.628 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.600 6.436 -6.292 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.018 7.692 -4.309 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.428 5.767 -5.656 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.009 7.026 -3.668 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.732 6.062 -4.341 1.00 0.00 C ATOM 0 H PHE A 71 -4.403 8.902 -7.614 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.554 6.373 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.134 8.385 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.641 9.070 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.835 6.200 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.581 8.444 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.993 5.015 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.246 7.260 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.534 5.539 -3.841 1.00 0.00 H new ATOM 1034 N GLY A 72 -3.787 5.964 -4.388 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.213 5.605 -3.048 1.00 0.00 C ATOM 1036 C GLY A 72 -5.446 4.723 -3.047 1.00 0.00 C ATOM 1037 O GLY A 72 -5.593 3.852 -2.191 1.00 0.00 O ATOM 0 H GLY A 72 -3.111 5.326 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.400 5.088 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.419 6.513 -2.480 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.335 4.952 -4.008 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.563 4.172 -4.113 1.00 0.00 C ATOM 1043 C ASN A 73 -7.296 2.823 -4.775 1.00 0.00 C ATOM 1044 O ASN A 73 -8.062 2.377 -5.631 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.615 4.945 -4.911 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.027 4.481 -4.607 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.520 3.525 -5.205 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.684 5.160 -3.673 1.00 0.00 N ATOM 0 H ASN A 73 -6.228 5.670 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.939 3.994 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.529 6.008 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.418 4.827 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.637 4.895 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.235 5.946 -3.203 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.207 2.178 -4.372 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.839 0.880 -4.925 1.00 0.00 C ATOM 1057 C LEU A 74 -5.994 -0.221 -3.880 1.00 0.00 C ATOM 1058 O LEU A 74 -5.549 -0.078 -2.741 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.398 0.912 -5.438 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.046 2.067 -6.376 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.554 2.358 -6.328 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.483 1.751 -7.799 1.00 0.00 C ATOM 0 H LEU A 74 -5.564 2.533 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.510 0.664 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.728 0.951 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.197 -0.025 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.580 2.956 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.322 3.183 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.269 2.629 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.000 1.471 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.224 2.584 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.977 0.849 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.561 1.593 -7.822 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.626 -1.320 -4.275 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.837 -2.448 -3.375 1.00 0.00 C ATOM 1076 C LYS A 75 -5.804 -3.542 -3.622 1.00 0.00 C ATOM 1077 O LYS A 75 -5.401 -3.805 -4.755 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.248 -3.014 -3.556 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.348 -2.001 -3.290 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.716 -2.662 -3.253 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.816 -1.650 -2.970 1.00 0.00 C ATOM 1082 NZ LYS A 75 -13.171 -2.232 -3.175 1.00 0.00 N ATOM 0 H LYS A 75 -7.002 -1.454 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.724 -2.090 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.351 -3.391 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.378 -3.864 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.160 -1.498 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.334 -1.235 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.909 -3.154 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.727 -3.437 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.726 -1.293 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.690 -0.785 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.893 -1.511 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.267 -2.550 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.301 -3.042 -2.536 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.363 -4.196 -2.537 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.372 -5.274 -2.611 1.00 0.00 C ATOM 1098 C PRO A 76 -4.932 -6.533 -3.264 1.00 0.00 C ATOM 1099 O PRO A 76 -6.118 -6.834 -3.136 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.028 -5.541 -1.143 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.231 -5.095 -0.385 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.800 -3.935 -1.155 1.00 0.00 C ATOM 0 HA PRO A 76 -3.513 -4.996 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.821 -6.597 -0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.140 -4.988 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.959 -5.901 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.965 -4.797 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.887 -3.896 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.419 -2.982 -0.786 1.00 0.00 H new